methyl 6-[2-[2-(3-methylbutanoylamino)ethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[2-(3-methylbutanoylamino)ethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-(3-methylbutanoylamino)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[2-[(3-methyl-1-oxobutyl)amino]-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-(3-methylbutanoylamino)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-(isovalerylamino)acetyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C18H24N4O5 MolecularWeight: 376.40696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(=O)N1CCCN1C(=O)C2=NC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NCC(=O)N1CCCN1C(=O)C2=NC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H24N4O5/c1-12(2)9-15(23)20-11-16(24)21-7-4-8-22(21)17(25)14-6-5-13(10-19-14)18(26)27-3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,20,23)